Chlorine in PDB 4qv1: Ycp BETA5-M45A Mutant

All present enzymatic activity of Ycp BETA5-M45A Mutant:
3.4.25.1;

The structure of Ycp BETA5-M45A Mutant, PDB code: 4qv1 was solved by E.M.Huber, W.Heinemeyer, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	134.540, 300.510, 144.280, 90.00, 112.67, 90.00
R / Rfree (%)	19.4 / 21.6

The structure of Ycp BETA5-M45A Mutant also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Chlorine atom in the Ycp BETA5-M45A Mutant (pdb code 4qv1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ycp BETA5-M45A Mutant, PDB code: 4qv1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ycp BETA5-M45A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ycp BETA5-M45A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:36.8 occ:1.00 OH H:TYR69 2.9 36.9 1.0 NH1 G:ARG111 3.0 37.8 1.0 OD1 G:ASN114 3.2 40.4 1.0 CB G:ASN114 3.7 35.2 1.0 CD G:ARG111 3.7 36.2 1.0 CZ H:TYR69 3.8 34.2 1.0 CE2 H:TYR69 3.8 34.0 1.0 CG G:ASN114 3.8 36.9 1.0 CZ G:ARG111 4.1 37.0 1.0 NE G:ARG111 4.3 37.0 1.0 O G:HOH437 4.7 46.0 1.0 CA G:ARG111 4.7 36.0 1.0 O G:ARG111 4.8 39.6 1.0

Chlorine binding site 2 out of 2 in the Ycp BETA5-M45A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ycp BETA5-M45A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:43.7 occ:1.00 OH V:TYR69 2.9 43.0 1.0 NH1 U:ARG111 3.2 45.1 1.0 OD1 U:ASN114 3.2 46.9 1.0 CB U:ASN114 3.7 40.6 1.0 CE2 V:TYR69 3.7 42.7 1.0 CZ V:TYR69 3.7 43.6 1.0 CD U:ARG111 3.8 41.6 1.0 CG U:ASN114 3.8 42.9 1.0 CZ U:ARG111 4.2 43.5 1.0 NE U:ARG111 4.4 43.0 1.0 CA U:ARG111 4.7 40.5 1.0 O U:ARG111 4.8 41.4 1.0 OD2 O:ASP87 4.9 48.2 1.0 ND2 U:ASN114 5.0 42.5 1.0 CD2 V:TYR69 5.0 43.0 1.0

E.M.Huber, W.Heinemeyer, M.Groll. Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and Onx 0914. Structure 2015.
ISSN: ISSN 0969-2126
PubMed: 25599643
DOI: 10.1016/J.STR.2014.11.019